N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide

C15H23NO3 — CID 110000349

IUPACN-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide
SMILESCOCCCC(C)C(=O)Nc1cc(CO)ccc1C
InChIInChI=1S/C15H23NO3/c1-11-6-7-13(10-17)9-14(11)16-15(18)12(2)5-4-8-19-3/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyNQZPJYPBEQAGEJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds7

About N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide

N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide (PubChem CID 110000349) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide
PubChem CID110000349
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide
SMILESCOCCCC(C)C(=O)Nc1cc(CO)ccc1C
InChIInChI=1S/C15H23NO3/c1-11-6-7-13(10-17)9-14(11)16-15(18)12(2)5-4-8-19-3/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyNQZPJYPBEQAGEJ-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide
CID 110025972
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084041
4-methyl-3-(2-methyloctadecanoylamino)benzoic acid
CID 12800037
(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
CID 97249140
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
CID 81071157
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
2-[(4-bromo-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084242
methyl 4-[(5-amino-2-methylpentanoyl)amino]-3-methylbenzoate
CID 104684128
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide?
The IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide (CID 110000349) is N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide is COCCCC(C)C(=O)Nc1cc(CO)ccc1C.
What is the InChIKey of N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide?
The InChIKey is NQZPJYPBEQAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-6-7-13(10-17)9-14(11)16-15(18)12(2)5-4-8-19-3/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide?
N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide has a molecular weight of 265.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide is sourced from PubChem (CID 110000349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).